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MMsINC code: MMs02996635

Type: Neutral
Formula: C₁₃H₁₆N₂O₄

SMILES:

O(C(=O)CC(NC(=O)c1ccccc1)C(=O)N)CC

InChI:

InChI=1/C13H16N2O4/c1-2-19-11(16)8-10(12(14)17)15-13(18)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H2,14,17)(H,15,18)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.7617 kcal/mol

Physical Properties
Molecular Weight: 264.281 g/mol	logS: -2.42687	SlogP: 0.2235	Reactive groups: 1

Topological Properties
Globularity: 0.0851044	Sterimol/B1: 2.42185	Sterimol/B2: 3.4494	Sterimol/B3: 3.50801
Sterimol/B4: 8.82847	Sterimol/L: 14.5015

Surface and Volume Properties
Accessible surface: 513.956	Positive charged surface: 314.733	Negative charged surface: 199.223	Volume: 249.125
Hydrophobic surface: 334.448	Hydrophilic surface: 179.508

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.